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DocumentationIdentifier: MM408036
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM408036 |
| SMILES |
CCC(CO)CC#CCO
|
| InChIKey |
ONWOTCOTIIYOFQ-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM365012
Similarity: 0.863
Similarity to MM365012
| Tanimoto metric | 0.863 |
|---|---|
| Cosine metric | 0.929 |
| Dice metric | 0.9265 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363858
Similarity: 0.8421
Similarity to MM363858
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9151 |
| Dice metric | 0.9143 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353178
Similarity: 0.7975
Similarity to MM353178
| Tanimoto metric | 0.7975 |
|---|---|
| Cosine metric | 0.8877 |
| Dice metric | 0.8873 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+740 more
